1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

C10H17N3O4 — CID 115451265

IUPAC1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCCNC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-7(14)11-4-5-12-9(17)13-6-10(2-3-10)8(15)16/h2-6H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeySRHDITZWDHKGOF-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.71
Rot. Bonds6

About 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451265) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115451265
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)NCCNC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-7(14)11-4-5-12-9(17)13-6-10(2-3-10)8(15)16/h2-6H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeySRHDITZWDHKGOF-UHFFFAOYSA-N
XLogP-0.71
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451266
1-[(4-methoxybutylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451502
1-[(5-methylhexylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312630
1-[[2-(methanesulfonamido)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311330
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-[(2-butoxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312514
1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid
CID 153371110
1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397452
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250

Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 115451265) is 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is CC(=O)NCCNC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SRHDITZWDHKGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-7(14)11-4-5-12-9(17)13-6-10(2-3-10)8(15)16/h2-6H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).